SCHEMBL25839735

SCHEMBL25839735

CC1CC(c2ccncc2)CN1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ROCK2 O75116 3/20 0.33
PRKG1 Q13976 3/20 0.33
NPC1 O15118 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13481229 0.81 BRD4 (0.46) LMNA
SCHEMBL7736890 0.81 BRD4 (0.46) LMNA
SCHEMBL14877490 0.81 BRD4 (0.46) LMNA
SCHEMBL24112879 0.80 ALDH1A1 (0.49) LMNAMAPTTDP1
SCHEMBL25839738 0.79 SLC6A2 (0.36) CYP1A2CYP2C19HRH3NPC1
SCHEMBL25839734 0.78 KDM1A (0.38) GAAHRH3MAPT
SCHEMBL16772741 0.75 MMP2 (0.40) GAALMNANPC1
SCHEMBL12049774 0.74 CYP1A2 (0.41) GAAOPRM1OPRL1L3MBTL1CYP1A2
SCHEMBL8260386 0.71 GAA (0.40) GAAOPRM1OPRL1L3MBTL1CYP1A2
SCHEMBL25839616 0.70 CYP19A1 (0.45) HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125825-A1 ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS AND USES THEREOF SHANGHAI CUREGENE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 WO disclosed